1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanol

C16H16Br2O3 — CID 103522810

IUPAC1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanol
SMILESCOc1ccc(C(C)(O)c2ccccc2Br)c(OC)c1Br
InChIInChI=1S/C16H16Br2O3/c1-16(19,10-6-4-5-7-12(10)17)11-8-9-13(20-2)14(18)15(11)21-3/h4-9,19H,1-3H3
InChIKeyKULIABAPZMIEAU-UHFFFAOYSA-N
MW416.11 g/mol
LogP4.48
Rot. Bonds4

About 1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanol

1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanol (PubChem CID 103522810) has the molecular formula C16H16Br2O3 and a molecular weight of 416.11 g/mol. Its IUPAC name is 1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanol
PubChem CID103522810
Molecular FormulaC16H16Br2O3
Molecular Weight416.11 g/mol
Exact Mass413.95
IUPAC Name1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanol
SMILESCOc1ccc(C(C)(O)c2ccccc2Br)c(OC)c1Br
InChIInChI=1S/C16H16Br2O3/c1-16(19,10-6-4-5-7-12(10)17)11-8-9-13(20-2)14(18)15(11)21-3/h4-9,19H,1-3H3
InChIKeyKULIABAPZMIEAU-UHFFFAOYSA-N
XLogP4.48
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.11
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanamine
CID 103523005
4-[1-(3-bromo-2,4-dimethoxyphenyl)-1-hydroxyethyl]phenol
CID 103522937
1,1-bis(2,3-dimethoxyphenyl)ethanol
CID 126607821
1,3-dibromo-2,4-dimethoxybenzene
CID 11645053
2-(3-bromo-2,4-dimethoxyphenyl)-4-(propylamino)butan-2-ol
CID 103524091
1-(2-bromophenyl)-1-(3-methoxypyrazin-2-yl)ethanol
CID 113421425
2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3,3-dimethylbutan-1-amine
CID 103524210
1-(3-bromo-2,4-dimethoxyphenyl)-1-(3-methylphenyl)ethanamine
CID 103522997
2-amino-2-(3-bromo-2,4-dimethoxyphenyl)-3,3,3-trifluoropropanoic acid
CID 103523841
2-(3-bromo-2,4-dimethoxyphenyl)-1-ethoxypropan-2-amine
CID 103523035
2-(2-bromo-3,6-dimethoxyphenyl)propan-2-ol
CID 117439684
1-(4-tert-butylphenyl)-1-(2-methoxyphenyl)ethanol
CID 62549935

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanol?
The IUPAC name of 1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanol (CID 103522810) is 1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanol?
The canonical SMILES for 1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanol is COc1ccc(C(C)(O)c2ccccc2Br)c(OC)c1Br.
What is the InChIKey of 1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanol?
The InChIKey is KULIABAPZMIEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2O3/c1-16(19,10-6-4-5-7-12(10)17)11-8-9-13(20-2)14(18)15(11)21-3/h4-9,19H,1-3H3.
What are the key properties of 1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanol?
1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanol has a molecular weight of 416.11 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanol is sourced from PubChem (CID 103522810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).